PubChemLite - 3-[n-(tert-butoxycfarbonyl)glycyl]aminp-4-(3,5-dimethy-ylbenzyl)-5-ethyl-6-methylpyridin-2(1h)-one (C24H35N3O4)

Structural Information

Molecular Formula

SMILES

CCC1C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NC(=O)CNC(=O)OC(C)(C)C)C

InChI

InChI=1S/C24H35N3O4/c1-8-18-16(4)26-22(29)21(19(18)12-17-10-14(2)9-15(3)11-17)27-20(28)13-25-23(30)31-24(5,6)7/h9-11,16,18H,8,12-13H2,1-7H3,(H,25,30)(H,26,29)(H,27,28)

InChIKey

UGXLWSSJOQKDSQ-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-[[4-[(3,5-dimethylphenyl)methyl]-3-ethyl-2-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl]amino]-2-oxoethyl]carbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	430.27004	208.4
[M+Na]+	452.25198	212.3
[M-H]-	428.25548	212.0
[M+NH4]+	447.29658	216.3
[M+K]+	468.22592	208.6
[M+H-H2O]+	412.26002	199.8
[M+HCOO]-	474.26096	223.4
[M+CH3COO]-	488.27661	236.3
[M+Na-2H]-	450.23743	204.7
[M]+	429.26221	209.4
[M]-	429.26331	209.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

430.27004

208.4

[M+Na]+

452.25198

212.3

[M-H]-

428.25548

212.0

[M+NH4]+

447.29658

216.3

[M+K]+

468.22592

208.6

[M+H-H2O]+

412.26002

199.8

[M+HCOO]-

474.26096

223.4

[M+CH3COO]-

488.27661

236.3

[M+Na-2H]-

450.23743

204.7

[M]+

429.26221

209.4

[M]-

429.26331

209.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3-[n-(tert-butoxycfarbonyl)glycyl]aminp-4-(3,5-dimethy-ylbenzyl)-5-ethyl-6-methylpyridin-2(1h)-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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